CID 243580

N-[4-chloro-3-(trifluoromethyl)phenyl]formamide

Structural Information

Molecular Formula
C8H5ClF3NO
SMILES
C1=CC(=C(C=C1NC=O)C(F)(F)F)Cl
InChI
InChI=1S/C8H5ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-4H,(H,13,14)
InChIKey
JCGSMHPPPSDAKF-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(trifluoromethyl)phenyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

223.00117 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00845 138.5
[M+Na]+ 245.99039 149.0
[M-H]- 221.99389 138.8
[M+NH4]+ 241.03499 157.8
[M+K]+ 261.96433 144.3
[M+H-H2O]+ 205.99843 131.5
[M+HCOO]- 267.99937 155.5
[M+CH3COO]- 282.01502 188.3
[M+Na-2H]- 243.97584 144.6
[M]+ 223.00062 136.7
[M]- 223.00172 136.7
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