CID 2773662

2-chloro-6-fluoro-3-methylbenzamide

Structural Information

Molecular Formula
C8H7ClFNO
SMILES
CC1=C(C(=C(C=C1)F)C(=O)N)Cl
InChI
InChI=1S/C8H7ClFNO/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKey
BYVRYIYAFIMINQ-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

187.02002 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.027296 133.5
[M+Na]+ 210.009238 144.2
[M-H]- 186.012744 136.3
[M+NH4]+ 205.053843 154.2
[M+K]+ 225.983178 140.0
[M+H-H2O]+ 170.017280 128.5
[M+HCOO]- 232.018221 152.6
[M+CH3COO]- 246.033871 184.4
[M+Na-2H]- 207.994686 137.1
[M]+ 187.01947142 133.4
[M]- 187.02056858 133.4
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