CID 4073140

2,2,3,3,4,4,4-heptafluoro-n'-phenylbutanehydrazide

Structural Information

Molecular Formula
C10H7F7N2O
SMILES
C1=CC=C(C=C1)NNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H7F7N2O/c11-8(12,9(13,14)10(15,16)17)7(20)19-18-6-4-2-1-3-5-6/h1-5,18H,(H,19,20)
InChIKey
CWKOYLVRJVKLFW-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N'-phenylbutanehydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

304.04465 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05193 156.8
[M+Na]+ 327.03387 163.8
[M-H]- 303.03737 151.4
[M+NH4]+ 322.07847 170.5
[M+K]+ 343.00781 160.3
[M+H-H2O]+ 287.04191 145.1
[M+HCOO]- 349.04285 170.0
[M+CH3COO]- 363.05850 205.8
[M+Na-2H]- 325.01932 162.0
[M]+ 304.04410 144.9
[M]- 304.04520 144.9
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.