CID 97992

(3-chloro-1-methoxypropyl)benzene

Structural Information

Molecular Formula
C10H13ClO
SMILES
COC(CCCl)C1=CC=CC=C1
InChI
InChI=1S/C10H13ClO/c1-12-10(7-8-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey
XXYMJFXCBAUDMV-UHFFFAOYSA-N
Compound name
(3-chloro-1-methoxypropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

184.06549 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 137.9
[M+Na]+ 207.05471 145.5
[M-H]- 183.05821 141.2
[M+NH4]+ 202.09931 158.6
[M+K]+ 223.02865 142.3
[M+H-H2O]+ 167.06275 133.0
[M+HCOO]- 229.06369 156.9
[M+CH3COO]- 243.07934 181.2
[M+Na-2H]- 205.04016 144.0
[M]+ 184.06494 141.0
[M]- 184.06604 141.0
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