CID 90477

24351-12-0

Structural Information

Molecular Formula
C12H15Cl2N2
SMILES
CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CC)C
InChI
InChI=1S/C12H15Cl2N2/c1-4-15-8(3)16(5-2)12-7-10(14)9(13)6-11(12)15/h6-7H,4-5H2,1-3H3/q+1
InChIKey
QQSONAPZEBELDW-UHFFFAOYSA-N
Compound name
5,6-dichloro-1,3-diethyl-2-methylbenzimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

47
Patents

257.06122 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06850 155.3
[M+Na]+ 280.05044 168.9
[M-H]- 256.05394 157.5
[M+NH4]+ 275.09504 174.6
[M+K]+ 296.02438 157.1
[M+H-H2O]+ 240.05848 152.3
[M+HCOO]- 302.05942 167.8
[M+CH3COO]- 316.07507 190.5
[M+Na-2H]- 278.03589 160.6
[M]+ 257.06067 161.4
[M]- 257.06177 161.4
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