CID 181289

1-(chloromethyl)-4-(2-methylpropyl)benzene

Structural Information

Molecular Formula
C11H15Cl
SMILES
CC(C)CC1=CC=C(C=C1)CCl
InChI
InChI=1S/C11H15Cl/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKey
RVQOLTBRWHPYTM-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-(2-methylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

182.08623 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09351 138.6
[M+Na]+ 205.07545 146.7
[M-H]- 181.07895 142.0
[M+NH4]+ 200.12005 159.8
[M+K]+ 221.04939 142.7
[M+H-H2O]+ 165.08349 133.9
[M+HCOO]- 227.08443 156.9
[M+CH3COO]- 241.10008 183.3
[M+Na-2H]- 203.06090 143.5
[M]+ 182.08568 141.0
[M]- 182.08678 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

literature stripe

Patent stripe

patents stripe