CID 2734803

3-methylbenzofuran-2-carbonyl chloride

Structural Information

Molecular Formula
C10H7ClO2
SMILES
CC1=C(OC2=CC=CC=C12)C(=O)Cl
InChI
InChI=1S/C10H7ClO2/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3
InChIKey
QEULGCOIYWPYIL-UHFFFAOYSA-N
Compound name
3-methyl-1-benzofuran-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

102
Patents

194.01346 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.020736 135.8
[M+Na]+ 217.002678 148.0
[M-H]- 193.006184 142.1
[M+NH4]+ 212.047283 158.3
[M+K]+ 232.976618 145.0
[M+H-H2O]+ 177.010720 131.9
[M+HCOO]- 239.011661 156.3
[M+CH3COO]- 253.027311 181.6
[M+Na-2H]- 214.988126 143.0
[M]+ 194.01291142 142.1
[M]- 194.01400858 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe