CID 79006197

4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C4H3ClF2N4
SMILES
C1(=NC(=NC(=N1)Cl)N)C(F)F
InChI
InChI=1S/C4H3ClF2N4/c5-3-9-2(1(6)7)10-4(8)11-3/h1H,(H2,8,9,10,11)
InChIKey
VHUJEXSWERMPAM-UHFFFAOYSA-N
Compound name
4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

180.00143 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.00871 128.6
[M+Na]+ 202.99065 139.8
[M-H]- 178.99415 125.7
[M+NH4]+ 198.03525 145.2
[M+K]+ 218.96459 135.9
[M+H-H2O]+ 162.99869 119.9
[M+HCOO]- 224.99963 143.5
[M+CH3COO]- 239.01528 181.0
[M+Na-2H]- 200.97610 134.7
[M]+ 180.00088 126.2
[M]- 180.00198 126.2
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