CID 67275578

7-chloro-3-methyl-1-benzofuran

Structural Information

Molecular Formula
C9H7ClO
SMILES
CC1=COC2=C1C=CC=C2Cl
InChI
InChI=1S/C9H7ClO/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-5H,1H3
InChIKey
IZCGXDIMRKJJAX-UHFFFAOYSA-N
Compound name
7-chloro-3-methyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

166.01854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.025816 128.6
[M+Na]+ 189.007758 141.4
[M-H]- 165.011264 134.9
[M+NH4]+ 184.052363 152.5
[M+K]+ 204.981698 138.2
[M+H-H2O]+ 149.015800 124.9
[M+HCOO]- 211.016741 150.0
[M+CH3COO]- 225.032391 144.9
[M+Na-2H]- 186.993206 137.5
[M]+ 166.01799142 134.4
[M]- 166.01908858 134.4
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