CID 14484729

4-methoxy-2-(trifluoromethyl)benzoyl chloride

Structural Information

Molecular Formula
C9H6ClF3O2
SMILES
COC1=CC(=C(C=C1)C(=O)Cl)C(F)(F)F
InChI
InChI=1S/C9H6ClF3O2/c1-15-5-2-3-6(8(10)14)7(4-5)9(11,12)13/h2-4H,1H3
InChIKey
MYGJNVNUYJLTOZ-UHFFFAOYSA-N
Compound name
4-methoxy-2-(trifluoromethyl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

238.00084 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00812 140.5
[M+Na]+ 260.99006 151.2
[M-H]- 236.99356 140.9
[M+NH4]+ 256.03466 159.5
[M+K]+ 276.96400 147.4
[M+H-H2O]+ 220.99810 133.7
[M+HCOO]- 282.99904 155.5
[M+CH3COO]- 297.01469 189.3
[M+Na-2H]- 258.97551 144.8
[M]+ 238.00029 140.7
[M]- 238.00139 140.7
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