CID 2775570

2-methyl-5-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C9H8F3NO
SMILES
CC1=C(C=C(C=C1)C(F)(F)F)C(=O)N
InChI
InChI=1S/C9H8F3NO/c1-5-2-3-6(9(10,11)12)4-7(5)8(13)14/h2-4H,1H3,(H2,13,14)
InChIKey
WPKYOPRYNZOLOF-UHFFFAOYSA-N
Compound name
2-methyl-5-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

203.0558 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06308 145.0
[M+Na]+ 226.04502 153.5
[M+NH4]+ 221.08962 150.3
[M+K]+ 242.01896 149.1
[M-H]- 202.04852 142.1
[M+Na-2H]- 224.03047 148.5
[M]+ 203.05525 145.0
[M]- 203.05635 145.0
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