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]+ 167.02582 127.0
[M+Na]+ 189.00776 143.5
[M+NH4]+ 184.05236 138.0
[M+K]+ 204.98170 137.3
[M-H]- 165.01126 131.9
[M+Na-2H]- 186.99321 135.2
[M]+ 166.01799 131.3
[M]- 166.01909 131.3
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