CID 606767

1,3-bis(chloromethyl)-2,4,5,6-tetramethylbenzene

Structural Information

Molecular Formula
C12H16Cl2
SMILES
CC1=C(C(=C(C(=C1C)CCl)C)CCl)C
InChI
InChI=1S/C12H16Cl2/c1-7-8(2)11(5-13)10(4)12(6-14)9(7)3/h5-6H2,1-4H3
InChIKey
YTRQKFPYZHBXPV-UHFFFAOYSA-N
Compound name
1,3-bis(chloromethyl)-2,4,5,6-tetramethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.06291 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.070186 146.4
[M+Na]+ 253.052128 158.3
[M-H]- 229.055634 150.2
[M+NH4]+ 248.096733 167.2
[M+K]+ 269.026068 152.4
[M+H-H2O]+ 213.060170 143.2
[M+HCOO]- 275.061111 160.2
[M+CH3COO]- 289.076761 194.7
[M+Na-2H]- 251.037576 148.5
[M]+ 230.06236142 152.1
[M]- 230.06345858 152.1
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