CID 13763655

2-(chloromethyl)-4-methoxy-1-methylbenzene

Structural Information

Molecular Formula
C9H11ClO
SMILES
CC1=C(C=C(C=C1)OC)CCl
InChI
InChI=1S/C9H11ClO/c1-7-3-4-9(11-2)5-8(7)6-10/h3-5H,6H2,1-2H3
InChIKey
AKHKPPMSUZKBHZ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-methoxy-1-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

170.04984 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 131.6
[M+Na]+ 193.03906 141.8
[M-H]- 169.04256 135.8
[M+NH4]+ 188.08366 153.7
[M+K]+ 209.01300 138.5
[M+H-H2O]+ 153.04710 127.4
[M+HCOO]- 215.04804 151.9
[M+CH3COO]- 229.06369 179.5
[M+Na-2H]- 191.02451 138.2
[M]+ 170.04929 135.7
[M]- 170.05039 135.7
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