CID 13657457

2,5-difluoro-4-methylbenzoyl chloride

Structural Information

Molecular Formula
C8H5ClF2O
SMILES
CC1=CC(=C(C=C1F)C(=O)Cl)F
InChI
InChI=1S/C8H5ClF2O/c1-4-2-7(11)5(8(9)12)3-6(4)10/h2-3H,1H3
InChIKey
CFWIAKKMBXJMOJ-UHFFFAOYSA-N
Compound name
2,5-difluoro-4-methylbenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

189.9997 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00698 129.2
[M+Na]+ 212.98892 140.8
[M-H]- 188.99242 131.2
[M+NH4]+ 208.03352 150.4
[M+K]+ 228.96286 136.8
[M+H-H2O]+ 172.99696 123.6
[M+HCOO]- 234.99790 147.0
[M+CH3COO]- 249.01355 183.1
[M+Na-2H]- 210.97437 133.4
[M]+ 189.99915 129.8
[M]- 190.00025 129.8
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