CID 70060

847-51-8

Structural Information

Molecular Formula
C10H7F7N2O2
SMILES
C1=CC(=C(C=C1N)O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H7F7N2O2/c11-8(12,9(13,14)10(15,16)17)7(21)19-5-2-1-4(18)3-6(5)20/h1-3,20H,18H2,(H,19,21)
InChIKey
STPOJASQXPXVMS-UHFFFAOYSA-N
Compound name
N-(4-amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

320.03958 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.04686 160.1
[M+Na]+ 343.02880 168.3
[M-H]- 319.03230 153.5
[M+NH4]+ 338.07340 172.7
[M+K]+ 359.00274 164.4
[M+H-H2O]+ 303.03684 149.0
[M+HCOO]- 365.03778 171.4
[M+CH3COO]- 379.05343 207.4
[M+Na-2H]- 341.01425 162.7
[M]+ 320.03903 147.5
[M]- 320.04013 147.5
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

patents stripe