CID 132351187

2-chloro-6,6-difluoro-5,6,7,8-tetrahydroquinazoline

Structural Information

Molecular Formula
C8H7ClF2N2
SMILES
C1CC(CC2=CN=C(N=C21)Cl)(F)F
InChI
InChI=1S/C8H7ClF2N2/c9-7-12-4-5-3-8(10,11)2-1-6(5)13-7/h4H,1-3H2
InChIKey
VGXPQZQBSGOIIV-UHFFFAOYSA-N
Compound name
2-chloro-6,6-difluoro-7,8-dihydro-5H-quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.02658 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.03386 135.8
[M+Na]+ 227.01580 146.7
[M-H]- 203.01930 135.0
[M+NH4]+ 222.06040 156.3
[M+K]+ 242.98974 142.0
[M+H-H2O]+ 187.02384 127.7
[M+HCOO]- 249.02478 148.4
[M+CH3COO]- 263.04043 148.3
[M+Na-2H]- 225.00125 143.7
[M]+ 204.02603 133.0
[M]- 204.02713 133.0
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

No patent data available for this compound.