CID 15921914

2-(propan-2-yloxy)benzoyl chloride

Structural Information

Molecular Formula
C10H11ClO2
SMILES
CC(C)OC1=CC=CC=C1C(=O)Cl
InChI
InChI=1S/C10H11ClO2/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3
InChIKey
CIYMDTDRZWFTTL-UHFFFAOYSA-N
Compound name
2-propan-2-yloxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

198.04475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 138.6
[M+Na]+ 221.03397 147.1
[M-H]- 197.03747 142.4
[M+NH4]+ 216.07857 158.9
[M+K]+ 237.00791 144.3
[M+H-H2O]+ 181.04201 133.9
[M+HCOO]- 243.04295 157.0
[M+CH3COO]- 257.05860 184.2
[M+Na-2H]- 219.01942 142.8
[M]+ 198.04420 142.3
[M]- 198.04530 142.3
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