CID 13069882

61706-54-5

Structural Information

Molecular Formula
C11H13Cl2NO
SMILES
CC1=C(C(=CC=C1)C)N(CCl)C(=O)CCl
InChI
InChI=1S/C11H13Cl2NO/c1-8-4-3-5-9(2)11(8)14(7-13)10(15)6-12/h3-5H,6-7H2,1-2H3
InChIKey
YHZUNJIVPRPTSP-UHFFFAOYSA-N
Compound name
2-chloro-N-(chloromethyl)-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

245.03741 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.044686 150.9
[M+Na]+ 268.026628 160.0
[M-H]- 244.030134 155.5
[M+NH4]+ 263.071233 170.5
[M+K]+ 284.000568 155.7
[M+H-H2O]+ 228.034670 146.6
[M+HCOO]- 290.035611 166.2
[M+CH3COO]- 304.051261 197.6
[M+Na-2H]- 266.012076 153.8
[M]+ 245.03686142 156.1
[M]- 245.03795858 156.1
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