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
2
Annotation Hits

0
References

23
Patents

184.06549 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.072766 137.9
[M+Na]+ 207.054708 145.5
[M-H]- 183.058214 141.2
[M+NH4]+ 202.099313 158.6
[M+K]+ 223.028648 142.3
[M+H-H2O]+ 167.062750 133.0
[M+HCOO]- 229.063691 156.9
[M+CH3COO]- 243.079341 181.2
[M+Na-2H]- 205.040156 144.0
[M]+ 184.06494142 141.0
[M]- 184.06603858 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