CID 168874726

N'-((2s)-1,1,1-trifluoropropan-2-yl)benzohydrazide

Structural Information

Molecular Formula
C10H11F3N2O
SMILES
C[C@@H](C(F)(F)F)NNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H11F3N2O/c1-7(10(11,12)13)14-15-9(16)8-5-3-2-4-6-8/h2-7,14H,1H3,(H,15,16)/t7-/m0/s1
InChIKey
XRTYMCRKVIVPGB-ZETCQYMHSA-N
Compound name
N'-[(2S)-1,1,1-trifluoropropan-2-yl]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

232.08235 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.089626 147.2
[M+Na]+ 255.071568 152.8
[M-H]- 231.075074 146.6
[M+NH4]+ 250.116173 164.1
[M+K]+ 271.045508 150.6
[M+H-H2O]+ 215.079610 138.2
[M+HCOO]- 277.080551 167.1
[M+CH3COO]- 291.096201 194.2
[M+Na-2H]- 253.057016 151.8
[M]+ 232.08180142 141.1
[M]- 232.08289858 141.1
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