CID 532103

N-(4-bromophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C10H5BrF7NO
SMILES
C1=CC(=CC=C1NC(=O)C(C(C(F)(F)F)(F)F)(F)F)Br
InChI
InChI=1S/C10H5BrF7NO/c11-5-1-3-6(4-2-5)19-7(20)8(12,13)9(14,15)10(16,17)18/h1-4H,(H,19,20)
InChIKey
GZPNVRALAPIZMQ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

366.94427 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.95155 174.6
[M+Na]+ 389.93349 186.1
[M-H]- 365.93699 172.4
[M+NH4]+ 384.97809 190.0
[M+K]+ 405.90743 173.2
[M+H-H2O]+ 349.94153 168.9
[M+HCOO]- 411.94247 184.7
[M+CH3COO]- 425.95812 210.5
[M+Na-2H]- 387.91894 178.4
[M]+ 366.94372 182.2
[M]- 366.94482 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.