CID 80530

2,5-bis(chloromethyl)-p-xylene

Structural Information

Molecular Formula
C10H12Cl2
SMILES
CC1=CC(=C(C=C1CCl)C)CCl
InChI
InChI=1S/C10H12Cl2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,5-6H2,1-2H3
InChIKey
UYRPOMMBPQHVMN-UHFFFAOYSA-N
Compound name
1,4-bis(chloromethyl)-2,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

222
Patents

202.0316 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03888 138.8
[M+Na]+ 225.02082 149.7
[M-H]- 201.02432 142.2
[M+NH4]+ 220.06542 160.1
[M+K]+ 240.99476 144.2
[M+H-H2O]+ 185.02886 135.4
[M+HCOO]- 247.02980 153.2
[M+CH3COO]- 261.04545 186.5
[M+Na-2H]- 223.00627 143.2
[M]+ 202.03105 143.0
[M]- 202.03215 143.0
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